methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate

C12H23NO3 — CID 20562907

IUPACmethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate
SMILESCOC(=O)CN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C12H23NO3/c1-11(2)6-9(14)7-12(3,4)13(11)8-10(15)16-5/h9,14H,6-8H2,1-5H3
InChIKeyJOFCFFLSTHUXHP-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.17
Rot. Bonds2

About methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate

methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate (PubChem CID 20562907) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate
PubChem CID20562907
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate
SMILESCOC(=O)CN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C12H23NO3/c1-11(2)6-9(14)7-12(3,4)13(11)8-10(15)16-5/h9,14H,6-8H2,1-5H3
InChIKeyJOFCFFLSTHUXHP-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate?
The IUPAC name of methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate (CID 20562907) is methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate is COC(=O)CN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate?
The InChIKey is JOFCFFLSTHUXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2)6-9(14)7-12(3,4)13(11)8-10(15)16-5/h9,14H,6-8H2,1-5H3.
What are the key properties of methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate?
methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate has a molecular weight of 229.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate is sourced from PubChem (CID 20562907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).